SCHEMBL12637592

SCHEMBL12637592

N#COc1ccc(C(=O)Cc2ccc(N=C=O)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ NPC1 O15118 3/20 0.38
▸ STS P08842 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RAB9A P51151 3/20 0.37
▸ PPARG P37231 1/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ TMPRSS2 O15393 1/20 0.35
▸ KLK1 P06870 1/20 0.35
▸ PRSS1 P07477 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SRD5A2 P31213 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12671924 0.87 NPC1 (0.46) NPC1STSLMNAHTTRAB9A
SCHEMBL1878539 0.85 CYP3A4 (0.57) CYP3A4TSHRNPC1STSLMNA
SCHEMBL17576542 0.83 CYP3A4 (0.38) CYP3A4TSHRSTSLMNARAB9A
SCHEMBL12671880 0.82 GSK3B (0.49) CYP3A4TSHRNPC1HTTRAB9A
SCHEMBL34881 0.81 CYP3A4 (0.67) CYP3A4TSHRSTSPPARGPPARA
SCHEMBL14826119 0.81 CYP3A4 (0.67) CYP3A4TSHRSTSPPARGPPARA
SCHEMBL16383172 0.81 CYP3A4 (0.52) CYP3A4TSHRPPARGPPARACYP1A2
SCHEMBL34741 0.81 CYP3A4 (0.47) CYP3A4TSHRCYP1A2
SCHEMBL25873146 0.79 SRD5A2 (0.41) CYP3A4TSHRHTTRAB9AMAPT
SCHEMBL25873139 0.79 PRSS1 (0.49) PRSS1CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9822205-B2 Deoxybenzoin-derived anti-flammable polymers UNIVERSITY OF MASSACHUSETTS (US) 2017-11-21 — — US disclosed
US-9340635-B2 Deoxybenzoin-derived anti-flammable polymers UNIVERSITY OF MASSACHUSETTS (US) 2016-05-17 — — US disclosed
US-20160009854-A1 DEOXYBENZOIN-DERIVED ANTI-FLAMMABLE POLYMERS UNIVERSITY OF MASSACHUSETTS 2016-01-14 — — US disclosed
US-20160009841-A1 DEOXYBENZOIN-DERIVED ANTI-FLAMMABLE POLYMERS UNIVERSITY OF MASSACHUSETTS 2016-01-14 — — US disclosed
US-9175131-B2 Deoxybenzoin-derived anti-flammable polymers UNIVERSITY OF MASSACHUSETTS (US) 2015-11-03 — — US disclosed
US-20130102754-A1 DEOXYBENZOIN-DERIVED ANTI-FLAMMABLE POLYMERS UNIVERSITY OF MASSACHUSETTS (US) 2013-04-25 — — US disclosed
US-8314202-B2 Deoxybenzoin-derived anti-flammable polymers UNIVERSITY OF MASSACHUSETTS (US) 2012-11-20 — — US disclosed
US-20110112241-A1 DEOXYBENZOIN-DERIVED ANTI-FLAMMABLE POLYMERS UNIVERSITY OF MASSACHUSETTS 2011-05-12 — — US disclosed
Send feedback